smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1c(CO)cc2oc3cc([O-])c(O)c(CC=C(C)C)c3c([O-])c-2c1=O ZINC000005854517 291273098 /nfs/dbraw/zinc/27/30/98/291273098.db2.gz HODIDERFBMZRHC-UHFFFAOYSA-N -2 0 410.466 4.573 1 10 biogenic,in-vitro HJCFRL